Explore the Potential with AI-Driven Innovation
This extensive focused library is tailor-made using the latest virtual screening and parameter assessment technology, operated by the Receptor.AI drug discovery platform. This technique is more effective than traditional methods, offering compounds with improved activity, selectivity, and safety.
We carefully select specific compounds from a vast collection of over 60 billion molecules in virtual chemical space. Our partner Reaxense helps in synthesizing and delivering these compounds.
In the library, a selection of top modulators is provided, each marked with 38 ADME-Tox and 32 parameters related to physicochemical properties and drug-likeness. Also, every compound comes with its best docking poses, affinity scores, and activity scores, providing a comprehensive overview.
We employ our advanced, specialised process to create targeted libraries for enzymes.
Fig. 1. The sreening workflow of Receptor.AI
It includes in-depth molecular simulations of both the catalytic and allosteric binding pockets, with ensemble virtual screening focusing on their conformational flexibility. For modulators, the process includes considering the structural shifts due to reaction intermediates to boost activity and selectivity.
Our library distinguishes itself through several key aspects:
partner
Reaxense
upacc
Q13621
UPID:
S12A1_HUMAN
Alternative names:
Bumetanide-sensitive sodium-(potassium)-chloride cotransporter 2; Kidney-specific Na-K-Cl symporter
Alternative UPACC:
Q13621; A8JYA2; E9PDW4
Background:
Solute carrier family 12 member 1, also known as the bumetanide-sensitive sodium-(potassium)-chloride cotransporter 2, plays a pivotal role in renal sodium, potassium, and chloride ion cotransport. This transporter is crucial for NaCl reabsorption in the thick ascending limb, impacting urinary concentration and volume regulation.
Therapeutic significance:
Its association with Bartter syndrome 1, an autosomal recessive disorder marked by impaired salt reabsorption and severe electrolyte imbalances, underscores its therapeutic significance. Understanding the role of Solute carrier family 12 member 1 could open doors to potential therapeutic strategies.